General
Preferred name
CITRAL
Synonyms
alpha-Citral ()
P&D ID
PD056452
CAS
5392-40-5
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Citral is a monoterpene found in Cymbopogon citratus essential oil. It has antihyperalgesic, anti-nociceptive and anti-inflammatory activity. (Enamine Bioactive Compounds)
DESCRIPTION Citral A monoterpene, obtained from the essential oil of lemongrass, which has anti-pain and anti-inflammatory properties. (TargetMol Bioactive Compound Library)
Compound Sets
2
Enamine Bioactive Compounds
TargetMol Bioactive Compound Library
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
152.12
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
2.88
TPSA
17.07
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
0.0
QED
0.34
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data